N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

C11H14N4O — CID 66400839

IUPACN-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(Cc2ncon2)c1
InChIInChI=1S/C11H14N4O/c1-2-10(6-12-9-3-4-9)15(5-1)7-11-13-8-16-14-11/h1-2,5,8-9,12H,3-4,6-7H2
InChIKeyUKNNVSQXLHRIAE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.17
Rot. Bonds5

About N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66400839) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66400839
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine
SMILESc1cc(CNC2CC2)n(Cc2ncon2)c1
InChIInChI=1S/C11H14N4O/c1-2-10(6-12-9-3-4-9)15(5-1)7-11-13-8-16-14-11/h1-2,5,8-9,12H,3-4,6-7H2
InChIKeyUKNNVSQXLHRIAE-UHFFFAOYSA-N
XLogP1.17
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine (CID 66400839) is N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is c1cc(CNC2CC2)n(Cc2ncon2)c1.
What is the InChIKey of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is UKNNVSQXLHRIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-2-10(6-12-9-3-4-9)15(5-1)7-11-13-8-16-14-11/h1-2,5,8-9,12H,3-4,6-7H2.
What are the key properties of N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 218.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66400839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).